N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine

C16H14N4S2 — CID 800766

IUPACN-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc2sccn2c1-c1csc(NCc2ccccc2)n1
InChIInChI=1S/C16H14N4S2/c1-11-14(20-7-8-21-16(20)18-11)13-10-22-15(19-13)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyQLJGQLPHQVQVJE-UHFFFAOYSA-N
MW326.45 g/mol
LogP4.44
Rot. Bonds4

About N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine

N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 800766) has the molecular formula C16H14N4S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID800766
Molecular FormulaC16H14N4S2
Molecular Weight326.45 g/mol
Exact Mass326.07
IUPAC NameN-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc2sccn2c1-c1csc(NCc2ccccc2)n1
InChIInChI=1S/C16H14N4S2/c1-11-14(20-7-8-21-16(20)18-11)13-10-22-15(19-13)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyQLJGQLPHQVQVJE-UHFFFAOYSA-N
XLogP4.44
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_F(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine (CID 800766) is N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine is Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is QLJGQLPHQVQVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S2/c1-11-14(20-7-8-21-16(20)18-11)13-10-22-15(19-13)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19).
What are the key properties of N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 326.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 800766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).